Geometry & MOs

Info

ID:	289000
PubChem CID:	104330632
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	4.34
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC)C(=O)NC(C)C2=CSC=C2

DOS

IR

Vibrations