Geometry & MOs

Info

ID:	41522
PubChem CID:	8146114
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	4.3
IP(EA), eV:	-8.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations