Geometry & MOs

Info

ID:	342509
PubChem CID:	127265664
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-137.88
Dipole, Da:	4.95
IP(EA), eV:	-10.07(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-pyrazin-2-ylethylamino)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(CC(=O)O)NC(=O)C=C(C)C1CC1

DOS

IR

Vibrations