Geometry & MOs

Info

ID:	171778
PubChem CID:	75426091
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	5.09
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-oxoquinazolin-3-yl)ethyl-propan-2-ylamino]acetonitrile

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1CNC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations