Geometry & MOs

Info

ID:	347036
PubChem CID:	127271540
Reduced:	O3N7C17H25 (1)
Stoich.:	A3B7C17D25 (1)
Weight, g/mol:	287.119381
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	6.82
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations