Geometry & MOs

Info

ID:	363293
PubChem CID:	127310551
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	2.55
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3CCCCO3

DOS

IR

Vibrations