Geometry & MOs

Info

ID:	243819
PubChem CID:	99239851
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	361.07897
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	9.03
IP(EA), eV:	-8.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations