Geometry & MOs

Info

ID:	172490
PubChem CID:	75515851
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	2.96
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[methyl(1-pyridin-4-ylpropyl)amino]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCCNC(=O)CNC1(CC1)C2=CC=CC=C2Br

DOS

IR

Vibrations