Geometry & MOs

Info

ID:	330531
PubChem CID:	127247938
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-125.5
Dipole, Da:	2.02
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-[2-(4-methylpiperidin-1-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations