Geometry & MOs

Info

ID:	158536
PubChem CID:	56464147
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	416.14376
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	3.18
IP(EA), eV:	-8.69(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NCC(C)N(C)C2CC2

DOS

IR

Vibrations