Geometry & MOs

Info

ID:	370005
PubChem CID:	127337126
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	4.48
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations