Geometry & MOs

Info

ID:	178195
PubChem CID:	76293882
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	459.159434
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	7.91
IP(EA), eV:	-9.1(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2CC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations