Geometry & MOs

Info

ID:	256215
PubChem CID:	103137806
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	53.66
Dipole, Da:	3.59
IP(EA), eV:	-8.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-methylpropyl)-8-N-propan-2-ylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations