Geometry & MOs

Info

ID:	84303
PubChem CID:	49865646
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	2.26
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinolin-1-amine

Drug info:

PubChemData

Smile

CNCCCOC1=CC2=C(C=C1)N=C(N(C2=O)CC(=O)NCC3CC3)C4=CC=CC=C4

DOS

IR

Vibrations