Geometry & MOs

Info

ID:	244439
PubChem CID:	99350870
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	13.62
Dipole, Da:	4.09
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NC[C@H]3CCN(C3)C4=CC=CC=C4OC)N=N1

DOS

IR

Vibrations