Geometry & MOs

Info

ID:	343151
PubChem CID:	127266324
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	313.123798
ΔH_f, kcal/mol:	17.59
Dipole, Da:	6.21
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-difluoro-2-methoxyphenyl)-4-formyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)N(CC)C2=CC=CC=C2

DOS

IR

Vibrations