Geometry & MOs

Info

ID:	46458
PubChem CID:	10524497
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	4.52
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[3-[(N-cyano-N'-propan-2-ylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC=C1OC2=CC=C(C=C2)OC)OC3=CC=CC=C3

DOS

IR

Vibrations