Geometry & MOs

Info

ID:	430114
PubChem CID:	135170175
Reduced:	NSO2H19C28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	177.15175
ΔH_f, kcal/mol:	66.19
Dipole, Da:	8.5
IP(EA), eV:	-8.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-6-methyl-7-propan-2-yl-2,3-dihydro-1H-azepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4=C(C5=CC=CC=C5C4=O)NC6=CC=CC=C6S3=O

DOS

IR

Vibrations