Geometry & MOs

Info

ID:	207659
PubChem CID:	80434264
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	45.69
Dipole, Da:	3.81
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isoquinolin-8-yltriazol-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1CN(CCCN1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations