Geometry & MOs

Info

ID:	140502
PubChem CID:	52710461
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	456.205395
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	3.95
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=CC3=C(C=C2)OCCO3)NC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations