Geometry & MOs

Info

ID:	354268
PubChem CID:	127286232
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-133.4
Dipole, Da:	7.57
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-3-yl]-3-(1,4-dimethylcyclohexyl)urea

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC2=CC(=CC=C2)NC(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations