Geometry & MOs

Info

ID:	140501
PubChem CID:	52710460
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	3.54
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-3-[(S)-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