Geometry & MOs

Info

ID:	298140
PubChem CID:	117647701
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	544.330108
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	3.63
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(3,5-dibutoxyphenyl)carbazol-9-yl]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=C(C=C2)C3=CC(=C(C=C3)N)F

DOS

IR

Vibrations