Geometry & MOs

Info

ID:	330635
PubChem CID:	127248042
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-180.87
Dipole, Da:	3.16
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1(CN2CCOCC2)O)C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations