Geometry & MOs

Info

ID:	377029
PubChem CID:	134223064
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	263.2613
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	2.52
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C2=CC=CC=C2CO1)NC

DOS

IR

Vibrations