Geometry & MOs

Info

ID:	330530
PubChem CID:	127247937
Reduced:	FN3O3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	-150.2
Dipole, Da:	5.48
IP(EA), eV:	-8.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-[2-(5-methylthiophen-2-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CCOC2=CC=C(C=C2)F

DOS

IR

Vibrations