Geometry & MOs

Info

ID:	311299
PubChem CID:	126590316
Reduced:	ON2C38H42 (1)
Stoich.:	AB2C38D42 (1)
Weight, g/mol:	375.219829
ΔH_f, kcal/mol:	52.61
Dipole, Da:	1.28
IP(EA), eV:	-7.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[2-[2-[4-(3,5-dimethylphenyl)-2H-pyrrol-2-yl]phenyl]ethoxy]pent-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C)CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)C4C=CC=CN4CCC5=CC=CC=C5C6=CC=C(CN6)C(C)(C)C

DOS

IR

Vibrations