Geometry & MOs

Info

ID:	368367
PubChem CID:	127328089
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	50.2
Dipole, Da:	6.47
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations