Geometry & MOs

Info

ID:	75619
PubChem CID:	48423749
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	6.12
IP(EA), eV:	-9.15(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)CN3CCOCC3

DOS

IR

Vibrations