Geometry & MOs

Info

ID:	160082
PubChem CID:	57304670
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	567.22168
ΔH_f, kcal/mol:	31.27
Dipole, Da:	1.42
IP(EA), eV:	-9.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl 1-[[3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]amino]ethane-1,1,2-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=C)NOCC=C

DOS

IR

Vibrations