Geometry & MOs

Info

ID:	354423
PubChem CID:	127286867
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	1.94
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations