Geometry & MOs

Info

ID:	145802
PubChem CID:	53595375
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	9.84
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC(C)C

DOS

IR

Vibrations