Geometry & MOs

Info

ID:	255492
PubChem CID:	103132458
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	2.29
IP(EA), eV:	-8.53(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-isoquinolin-8-ylcycloheptyl)methanamine

Drug info:

PubChemData

Smile

CCCNC1CCC(CC1)N(C)CC2CCC(O2)C

DOS

IR

Vibrations