Geometry & MOs

Info

ID:	69450
PubChem CID:	47177394
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	3.93
Dipole, Da:	2.03
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)N(C)C

DOS

IR

Vibrations