Geometry & MOs

Info

ID:	362671
PubChem CID:	127309060
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	339.299811
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	3.08
IP(EA), eV:	-8.4(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)N2C3CCC2CC(C3)O)N(C)C

DOS

IR

Vibrations