Geometry & MOs

Info

ID:	312697
PubChem CID:	126607450
Reduced:	O3N8C26H34 (1)
Stoich.:	A3B8C26D34 (1)
Weight, g/mol:	398.187339
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	6.71
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[2-[[4-(2-methylpropyl)-2,3-dihydro-1H-inden-2-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCC1=NNNC1)CC(=O)N2CC3=CN=C(N=C3C2)NC4CC5=CC=CC=C5C4

DOS

IR

Vibrations