Geometry & MOs

Info

ID:	330639
PubChem CID:	127248046
Reduced:	N4O4C17H32 (1)
Stoich.:	A4B4C17D32 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	3.6
IP(EA), eV:	-8.75(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-methyl-5-(2-methylpropyl)pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1(CN2CCOCC2)O)C(=O)CN3CCN(CC3)CCO

DOS

IR

Vibrations