Geometry & MOs

Info

ID:	256289
PubChem CID:	103138234
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	1.8
IP(EA), eV:	-8.89(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-(2-pyrrolidin-1-ylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=C(C=C2)C)CNC3CC3

DOS

IR

Vibrations