Geometry & MOs

Info

ID:	360430
PubChem CID:	127301075
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	3.73
IP(EA), eV:	-8.91(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations