Geometry & MOs

Info

ID:	361527
PubChem CID:	127303717
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	10.51
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(morpholin-4-ylmethyl)phenyl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations