Geometry & MOs

Info

ID:

376645

PubChem CID:

134222666

Reduced:

O2N4C31H36 (1)

Stoich.:

A2B4C31D36 (1)

Weight, g/mol:

540.310041

ΔHf, kcal/mol:

-10.2

Dipole, Da:

3.88

IP(EA), eV:

 -9.02(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[2-[[6-[4-(1-amino-3-methylcyclobutyl)phenyl]-5-phenylpyridin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(CC1)CC(=O)NC2=NN=C(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5(CC5)C

DOS

IR

Vibrations