Geometry & MOs

Info

ID:	158183
PubChem CID:	56463115
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	6.09
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NCC(C)N(C)C4CC4

DOS

IR

Vibrations