Geometry & MOs

Info

ID:	137068
PubChem CID:	52148759
Reduced:	O3N4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	393.262757
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.944043
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-3-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](CNC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)O

DOS

IR

Vibrations