Geometry & MOs

Info

ID:	243846
PubChem CID:	99289365
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	5.84
Dipole, Da:	4.34
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1NC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)C5CC5

DOS

IR

Vibrations