Geometry & MOs

Info

ID:	146582
PubChem CID:	53707987
Reduced:	NO2C22H31 (2)
Stoich.:	AB2C22D31 (2)
Weight, g/mol:	408.111981
ΔH_f, kcal/mol:	-189.94
Dipole, Da:	4.3
IP(EA), eV:	-8.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichloro-4-phenylmethoxyphenyl)-1-methyl-3-(N'-propylcarbamimidoyl)urea

Drug info:

PubChemData

Smile

CC(=O)CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCN(CC6CCCCC6)C(=O)CCCCCCCCCCC7=CC=CC=C7)O[C@H]3CCC4

DOS

IR

Vibrations