Geometry & MOs

Info

ID:	153270
PubChem CID:	56312439
Reduced:	FO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	428.185983
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	3.18
IP(EA), eV:	-8.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations