Geometry & MOs

Info

ID:	435597
PubChem CID:	135191894
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	5.31
IP(EA), eV:	-8.99(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-5-methyl-4-oxo-2,3,9,9a-tetrahydro-1,5-benzoxazepin-3-yl]-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(/C=C(/CC1=CC=CCC1)\OC)C(=O)NC

DOS

IR

Vibrations