Geometry & MOs

Info

ID:	74095
PubChem CID:	48421455
Reduced:	OSN4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	383.151288
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	7.86
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(1-phenylethylamino)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)C

DOS

IR

Vibrations