Geometry & MOs

Info

ID:	339477
PubChem CID:	127261410
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	2.42
IP(EA), eV:	-9.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E)-2-(3-ethoxycyclohex-2-en-1-ylidene)ethyl]formamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C=C1)C2=CC=CC=N2)Br

DOS

IR

Vibrations