Geometry & MOs

Info

ID:	243845
PubChem CID:	99289363
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	10.2
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-4-(4-oxoquinazolin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N[C@@H]4CCN(C4)C5CC5

DOS

IR

Vibrations