Geometry & MOs

Info

ID:	256216
PubChem CID:	103137811
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	21.2
Dipole, Da:	3.95
IP(EA), eV:	-8.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-cyclopropyl-8-N-(3-methylbutyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)CN(C1=C2C=NC=CC2=C(C=C1)N)C(C)C

DOS

IR

Vibrations