Geometry & MOs

Info

ID:	133293
PubChem CID:	51504852
Reduced:	NO3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	308.072128
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.216364
Charge, e:	1

Chem-info

IUPAC name:

[1-(2,4-dichlorophenyl)cyclopropyl]-[(2-methylpyrimidin-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C[NH2+]C3(CC3)C4=CC=C(C=C4)OC)OCO2

DOS

IR

Vibrations