Geometry & MOs

Info

ID:	355903
PubChem CID:	127290755
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	2.74
Dipole, Da:	6.75
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations