Geometry & MOs

Info

ID:	313181
PubChem CID:	126612390
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	193.18305
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cycloheptyl-4-methylpenta-1,2-dien-3-amine

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations