Geometry & MOs

Info

ID:	182732
PubChem CID:	76931668
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-145.11
Dipole, Da:	3.91
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[3-(3-methylpyrazolidin-4-yl)propyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)O)C(=O)C=CC1=CC(=CC=C1)OC

DOS

IR

Vibrations