Geometry & MOs

Info

ID:	158537
PubChem CID:	56464148
Reduced:	ClOSN4C21H25 (1)
Stoich.:	ABCD4E21F25 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	43.71
Dipole, Da:	3.34
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-[cyclopropyl(methyl)amino]propyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCC(C)N(C)C3CC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations