Geometry & MOs

Info

ID:	276429
PubChem CID:	103823228
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	5.35
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-(quinazolin-4-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC=CC=C1[N+](=O)[O-])C(=O)NC

DOS

IR

Vibrations