Geometry & MOs

Info

ID:	256066
PubChem CID:	103136827
Reduced:	BrN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	5.63
IP(EA), eV:	-9.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-phenylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C(=O)NC2=O)Br

DOS

IR

Vibrations