Geometry & MOs

Info

ID:	330497
PubChem CID:	127247904
Reduced:	ClO3N4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	3.74
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-chromene-3-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CCC2=CC(=NO2)Cl)C

DOS

IR

Vibrations