Geometry & MOs

Info

ID:	274366
PubChem CID:	103808804
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	4.92
IP(EA), eV:	-8.96(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(3-methoxyphenyl)ethyl]cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)C2CCCCC2N

DOS

IR

Vibrations