Geometry & MOs

Info

ID:	156720
PubChem CID:	56371902
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	418.283158
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CN3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations