Geometry & MOs

Info

ID:	366989
PubChem CID:	127322537
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	2.16
IP(EA), eV:	-9.16(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-3-ylmethyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)CNC(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations