Geometry & MOs

Info

ID:	370633
PubChem CID:	127339789
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	1.48
Dipole, Da:	2.52
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=C(O3)C5=CC=CC=C5C=C4)C

DOS

IR

Vibrations