Geometry & MOs

Info

ID:	363173
PubChem CID:	127310212
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	1.18
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N,N-dimethylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2CC(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations