Geometry & MOs

Info

ID:	256343
PubChem CID:	103138645
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	74.93
Dipole, Da:	4.45
IP(EA), eV:	-7.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations