Geometry & MOs

Info

ID:	180180
PubChem CID:	76591134
Reduced:	ClPN4O4C23H27 (1)
Stoich.:	ABC4D4E23F27 (1)
Weight, g/mol:	343.251129
ΔH_f, kcal/mol:	-130.2
Dipole, Da:	6.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764463
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2,6-dimethyl-4-[methyl(propan-2-yl)amino]-10-phenyldeca-7,9-dien-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4CCN[N+](=O)C4)OC)C

DOS

IR

Vibrations