Geometry & MOs

Info

ID:	244945
PubChem CID:	99431644
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-41.9
Dipole, Da:	2.2
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-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)CC3=CN4C=CC=C(C4=N3)C

DOS

IR

Vibrations