Geometry & MOs

Info

ID:	140500
PubChem CID:	52710459
Reduced:	Cl2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	4.25
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-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)NCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations