Geometry & MOs

Info

ID:	257086
PubChem CID:	103143669
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	266.178299
ΔH_f, kcal/mol:	50.13
Dipole, Da:	3.13
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-cyclopropylazepan-2-yl)isoquinoline

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC=CC2=C1C=NC=C2)N

DOS

IR

Vibrations