Geometry & MOs

Info

ID:	247658
PubChem CID:	103072594
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	5.21
IP(EA), eV:	-9.3(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-1-[2-(methylaminomethyl)prop-2-enyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1(CCC(=O)N(CC1)CC(=C)CN)C

DOS

IR

Vibrations