Geometry & MOs

Info

ID:	44029
PubChem CID:	10323007
Reduced:	ON2C32H54 (1)
Stoich.:	AB2C32D54 (1)
Weight, g/mol:	389.123878
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	3.41
IP(EA), eV:	-8.5(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[[benzoyl(cyclopropyl)amino]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@H](CN1CCC(CC1)N2CCCCC2)[C@H]3CCC4[C@@]3(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)O)C)C

DOS

IR

Vibrations