Geometry & MOs

Info

ID:	358820
PubChem CID:	127296688
Reduced:	ClO2N5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	27.22
Dipole, Da:	6.36
IP(EA), eV:	-9.7(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N2CCC(=C)CC2)Cl)N3C=NN=N3

DOS

IR

Vibrations