Geometry & MOs

Info

ID:	207662
PubChem CID:	80434536
Reduced:	BrNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	4.93
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-cyclopropyl-1,4-diazepan-1-yl)isoquinoline

Drug info:

PubChemData

Smile

CCC(=O)C(CC1=CC=CC2=C1C=NC=C2)Br

DOS

IR

Vibrations