Geometry & MOs

Info

ID:	381416
PubChem CID:	134972141
Reduced:	N2O5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	350.220557
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790544
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N/[N+](=C(/C1=CC=CC=C1)\C(=O)C2=CC=CC=C2)/C(=O)OC(C)C

DOS

IR

Vibrations