Geometry & MOs

Info

ID:	46273
PubChem CID:	10523645
Reduced:	NO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	7.04
IP(EA), eV:	-7.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-phenyl-3-(2-phenylhydrazinyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC1CC2=C(C=CC(=C2)OC)C3=C(C4=C(N13)C=C(C=C4)OC)C(=O)C

DOS

IR

Vibrations