Geometry & MOs

Info

ID:	331773
PubChem CID:	127250057
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	2.75
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations