Geometry & MOs

Info

ID:	158354
PubChem CID:	56463488
Reduced:	BrON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	25.53
Dipole, Da:	1.93
IP(EA), eV:	-8.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC(C)N(C)C3CC3)C)Br

DOS

IR

Vibrations