Geometry & MOs

Info

ID:	39888
PubChem CID:	8142758
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	8.13
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butyl-[(2-chlorophenyl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)C

DOS

IR

Vibrations