Geometry & MOs

Info

ID:	247474
PubChem CID:	103071731
Reduced:	SN2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	62.15
Dipole, Da:	3.17
IP(EA), eV:	-7.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C2=CC=CC=C2SC3=CC=CC=C31

DOS

IR

Vibrations