Geometry & MOs

Info

ID:	260404
PubChem CID:	103190113
Reduced:	NOC3H6 (4)
Stoich.:	ABC3D6 (4)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-192.32
Dipole, Da:	5.91
IP(EA), eV:	-8.89(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C(C)CN(C)C)C(=O)NCC(=O)NCC(=O)O

DOS

IR

Vibrations