Geometry & MOs

Info

ID:

234115

PubChem CID:

92297760

Reduced:

ClO2N6C30H31 (1)

Stoich.:

AB2C6D30E31 (1)

Weight, g/mol:

540.284889

ΔHf, kcal/mol:

49.57

Dipole, Da:

5.89

IP(EA), eV:

 -9.18(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(S)-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3CCOC)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations