Geometry & MOs

Info

ID:	443432
PubChem CID:	135258984
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	351.144373
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	0.13
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3,7-dimethyl-5-oxo-4,10-diazatricyclo[4.3.1.03,10]deca-1,6,8-trien-9-yl)amino]-1,3,5-triazin-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C=C1)CCCC3

DOS

IR

Vibrations