Geometry & MOs

Info

ID:	358874
PubChem CID:	127296745
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	381.299142
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	3.79
IP(EA), eV:	-9.18(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-propoxyazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2CCN(CC2)C(=O)NC

DOS

IR

Vibrations