Geometry & MOs

Info

ID:	247642
PubChem CID:	103072529
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	5.05
IP(EA), eV:	-9.34(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-propan-2-ylazepan-2-one

Drug info:

PubChemData

Smile

CC1CCC(=O)N(CC1)CC(=C)CN

DOS

IR

Vibrations