Geometry & MOs

Info

ID:	141939
PubChem CID:	52954901
Reduced:	NO3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	2.78
IP(EA), eV:	-8.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethyl-2-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-ylidene)amino]ethanol

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)OC(=CC2=NCCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)C

DOS

IR

Vibrations