Geometry & MOs

Info

ID:	445548
PubChem CID:	135267953
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	1.06
IP(EA), eV:	-8.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(4b-methyl-8aH-carbazol-9-yl)-2-hydroxypropoxy]benzoate

Drug info:

PubChemData

Smile

CC1CC=C2C(=C1)C3=CC=CC=C3N2CC(COC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations