Geometry & MOs

Info

ID:	245608
PubChem CID:	99455591
Reduced:	ClO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	404.197904
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	3.82
IP(EA), eV:	-8.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@H](C)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations