Geometry & MOs

Info

ID:	368229
PubChem CID:	127327780
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	5.63
Dipole, Da:	3.63
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)NC3(CCCC3)C4=NC=CS4

DOS

IR

Vibrations