Geometry & MOs

Info

ID:	247396
PubChem CID:	103070819
Reduced:	NC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	252.256549
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	2.85
IP(EA), eV:	-8.6(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4,4-dimethylazepan-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1(CCCN(CC1)CC(=C)CN)C

DOS

IR

Vibrations