Geometry & MOs

Info

ID:	243322
PubChem CID:	99218324
Reduced:	N3O7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-238.84
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethoxyphenyl)methyl-[(2R)-2-pyrazol-1-ylpropanoyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN(CC(=O)OC)C(=O)C2=CC=CC(=C2)CN3C(=O)CNC3=O)OC

DOS

IR

Vibrations