Geometry & MOs

Info

ID:	144184
PubChem CID:	53328325
Reduced:	NO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	504.296122
ΔH_f, kcal/mol:	57.17
Dipole, Da:	2.64
IP(EA), eV:	-8.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethylpyrrole-2-carbonyl)-N-[1-[4-[2-(triazol-1-yl)ethyl]phenyl]piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2OOC(OO2)C3=CC=C(C=C3)CNC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations