Geometry & MOs

Info

ID:	369406
PubChem CID:	127333311
Reduced:	O4N5C19H31 (1)
Stoich.:	A4B5C19D31 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-213.7
Dipole, Da:	4.68
IP(EA), eV:	-9.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(azepan-1-yl)propanoyl]piperidin-4-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1CC(=O)N2CCC(CC2)NC(=O)NC3CCCCC3)C

DOS

IR

Vibrations