Geometry & MOs

Info

ID:	415601
PubChem CID:	135088600
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	6.54
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylpyrazol-3-yl)propyl]-2-(2-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NC3=CC=CC=C3N2CCO)O)CC4=CC=CC=N4

DOS

IR

Vibrations