Geometry & MOs

Info

ID:	356129
PubChem CID:	127291165
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-150.55
Dipole, Da:	2.91
IP(EA), eV:	-9.03(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-(oxan-3-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations