Geometry & MOs

Info

ID:	247644
PubChem CID:	103072541
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	5.06
IP(EA), eV:	-8.61(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1CCC(CCC1=O)C(C)(C)C

DOS

IR

Vibrations