Geometry & MOs

Info

ID:	370874
PubChem CID:	127341182
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	1.95
IP(EA), eV:	-8.9(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)CN3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations