Geometry & MOs

Info

ID:	356469
PubChem CID:	127291573
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	35.62
Dipole, Da:	7.07
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)CCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations