Geometry & MOs

Info

ID:	362960
PubChem CID:	127309966
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	380.242356
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	3.51
IP(EA), eV:	-8.95(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1COC(CN1C(=O)NCC2CCN(CC2)CC3=NC(=C(O3)C)C)C

DOS

IR

Vibrations