Geometry & MOs

Info

ID:	64084
PubChem CID:	29196062
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	357.16079
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	5.17
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC(=O)N

DOS

IR

Vibrations