Geometry & MOs

Info

ID:	348613
PubChem CID:	127273724
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	4.83
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[oxolan-3-ylmethyl(propan-2-yl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations