Geometry & MOs

Info

ID:	342542
PubChem CID:	127265697
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	76.95
Dipole, Da:	5.51
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenyloxan-4-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1NCC3=C(N(N=C3)C)C

DOS

IR

Vibrations