Geometry & MOs

Info

ID:	379567
PubChem CID:	134445584
Reduced:	ON2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	390.149204
ΔH_f, kcal/mol:	22.88
Dipole, Da:	1.08
IP(EA), eV:	-7.55(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)methyl N-[3-(3-aminophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C/C=C/NC1=C(C=C(C=C1)C=C2CCC2)OC)C3=CC=CC=C3NC

DOS

IR

Vibrations