Geometry & MOs

Info

ID:	133244
PubChem CID:	51497001
Reduced:	ON3C19H28 (1)
Stoich.:	AB3C19D28 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	13.91
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124379
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C[NH+](C[C@H]2CCCO2)CC3=CC=CC=C3)C

DOS

IR

Vibrations