Geometry & MOs

Info

ID:	330507
PubChem CID:	127247914
Reduced:	O4N5C15H25 (1)
Stoich.:	A4B5C15D25 (1)
Weight, g/mol:	341.130633
ΔH_f, kcal/mol:	-178.45
Dipole, Da:	4.6
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloro-4-fluorophenyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC(C2)C(=O)NC)C)C

DOS

IR

Vibrations