Geometry & MOs

Info

ID:	346838
PubChem CID:	127271342
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	3.29
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxybenzoyl)pyrrolidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations