Geometry & MOs

Info

ID:	42939
PubChem CID:	10317267
Reduced:	O5H18C23 (1)
Stoich.:	A5B18C23 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	4.59
IP(EA), eV:	-8.43(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamate

Drug info:

PubChemData

Smile

COC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)OC)C5=C3C(=O)C=C(C5=O)OC

DOS

IR

Vibrations