Geometry & MOs

Info

ID:	178943
PubChem CID:	76404196
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	2.04
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethylpyrazolidin-3-yl)methyl]-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=CC=C1)N2CCC(C(C2)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations