Geometry & MOs

Info

ID:	202203
PubChem CID:	79642331
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	4.3
IP(EA), eV:	-8.61(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N2CCCCCC2C)C(=O)O

DOS

IR

Vibrations