Geometry & MOs

Info

ID:	336091
PubChem CID:	127255098
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	2.56
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-1H-quinazolin-2-yl)-N-[2-(1-propan-2-ylindol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NCC2COC3=CC=CC=C3O2)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations