Geometry & MOs

Info

ID:	244946
PubChem CID:	99431646
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	10.26
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-[4-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)CCCN3C=CN=C3C

DOS

IR

Vibrations