Geometry & MOs

Info

ID:	142285
PubChem CID:	53009337
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	463.213888
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	5.9
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)isoquinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=N3)NC(=O)C)C(=O)O

DOS

IR

Vibrations