Geometry & MOs

Info

ID:	36603
PubChem CID:	8009390
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	381.192666
ΔH_f, kcal/mol:	-170.44
Dipole, Da:	6.41
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations