Geometry & MOs

Info

ID:	348126
PubChem CID:	127273188
Reduced:	OSN6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	31.96
Dipole, Da:	6.21
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)NC2=CC=C(C=C2)N3C=CN=N3)N4CCSCC4

DOS

IR

Vibrations