Geometry & MOs

Info

ID:	330660
PubChem CID:	127248067
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	323.206973
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	2.61
IP(EA), eV:	-8.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC(C3)(CN4CCN(CC4)C)O

DOS

IR

Vibrations