Geometry & MOs

Info

ID:	368334
PubChem CID:	127327927
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	6.4
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxybenzoyl)pyrrolidin-2-yl]-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC(C3)C4=CN(N=C4)C)O)C

DOS

IR

Vibrations