Geometry & MOs

Info

ID:	185451
PubChem CID:	77301466
Reduced:	N4O4C23H36 (1)
Stoich.:	A4B4C23D36 (1)
Weight, g/mol:	540.298808
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	3.72
IP(EA), eV:	-8.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-4-yl]-6-methylhept-2-enyl]phenyl]-7-oxohept-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CN=CC=C(N)NC(=O)C(CC1CCCC1)N2CC(=CC2=O)OC3CCC3)O

DOS

IR

Vibrations