Geometry & MOs

Info

ID:	319743
PubChem CID:	126657153
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	193.18305
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	5.29
IP(EA), eV:	-7.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trimethyl-5-methylidene-1,3,4,5a,6,7,8,8a-octahydrocyclopenta[c]azepine

Drug info:

PubChemData

Smile

C/C=C(\C(=C/N=C)\NC[C@@H]1CCCC2=C1C=CC(=C2)N(C)CC3CC3)/C(=O)O

DOS

IR

Vibrations