Geometry & MOs

Info

ID:	330442
PubChem CID:	127247846
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	2.63
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-prop-2-enyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N)C(=O)C2=CC3=C(N2C)C=CC(=C3)F

DOS

IR

Vibrations