Geometry & MOs

Info

ID:	253292
PubChem CID:	103117433
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	4.73
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCCN1)NC(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations