Geometry & MOs

Info

ID:	158252
PubChem CID:	56463234
Reduced:	BrO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	398.150954
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	4.38
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-5-(furan-2-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br)N(C)C3CC3

DOS

IR

Vibrations