Geometry & MOs

Info

ID:	29313
PubChem CID:	832923
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	4.24
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-4-(propanoylamino)benzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)NN=C(C)C2=CC=CC=C2O

DOS

IR

Vibrations