Geometry & MOs

Info

ID:	330663
PubChem CID:	127248070
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	4.83
IP(EA), eV:	-8.45(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)C3=CC4=C(CCCC4)C=C3)O

DOS

IR

Vibrations