Geometry & MOs

Info

ID:	365589
PubChem CID:	127318152
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-126.28
Dipole, Da:	2.9
IP(EA), eV:	-9.15(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[(3-methyloxolan-3-yl)methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations