Geometry & MOs

Info

ID:	123126
PubChem CID:	50834726
Reduced:	O2N5H17C21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	22.11
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations