Geometry & MOs

Info

ID:	302140
PubChem CID:	124349675
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	3.26
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-ethyl-4-[[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)C/C(=C/C4=CC=CO4)/C

DOS

IR

Vibrations