Geometry & MOs

Info

ID:	138710
PubChem CID:	52414085
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	413.163683
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	3.93
IP(EA), eV:	-9.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dichlorophenyl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-1-methylurea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C(=O)NCC2=C(N=CC=C2)N(C)C

DOS

IR

Vibrations