Geometry & MOs

Info

ID:	415020
PubChem CID:	135088000
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	348.187149
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	5.72
IP(EA), eV:	-8.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3,4-dimethylphenyl)acetyl]-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)NC(=O)C2=CC=CC(=C2)CN3CCCCCC3

DOS

IR

Vibrations