Geometry & MOs

Info

ID:

392018

PubChem CID:

135012012

Reduced:

NOPC23H23 (1)

Stoich.:

ABCD23E23 (1)

Weight, g/mol:

361.159551

ΔHf, kcal/mol:

62.12

Dipole, Da:

0.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.984407

Charge, e:

 0

Chem-info

IUPAC name:

diphenyl-[(5Z)-5-(4-propan-2-yl-1,3-oxazolidin-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane

Drug info:

PubChemData

Smile

CC(C)C1CO/C(=C\2/C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)/[N-]1

DOS

IR

Vibrations