Geometry & MOs

Info

ID:	268273
PubChem CID:	103598674
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	389.161853
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	4.17
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoylamino]-3-butylurea

Drug info:

PubChemData

Smile

CCCCNC(=O)NNC(=O)C=CC1=CC=C(C=C1)NC(=O)C

DOS

IR

Vibrations