Geometry & MOs

Info

ID:	155338
PubChem CID:	56352927
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	2.37
IP(EA), eV:	-9.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)F)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations