Geometry & MOs

Info

ID:	186426
PubChem CID:	77430491
Reduced:	N3O4C22H35 (1)
Stoich.:	A3B4C22D35 (1)
Weight, g/mol:	470.256943
ΔH_f, kcal/mol:	-189.89
Dipole, Da:	5.83
IP(EA), eV:	-9.09(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11b-benzyl-3-ethyl-3-hydroxy-N-(2-methylpyridin-3-yl)-1,2,4,4a,5,7-hexahydrobenzo[d][2]benzoxepine-9-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)N2C13CCCC2C(C4(CCN(C3=O)C)CC(N(C4=O)C)OC)(C)C

DOS

IR

Vibrations