Geometry & MOs

Info

ID:	131727
PubChem CID:	51253744
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	3.99
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(3-methylbutyl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)CNC2=CC=CC(=C2)C(=O)OC

DOS

IR

Vibrations