Geometry & MOs

Info

ID:	416108
PubChem CID:	135089116
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	5.2
Dipole, Da:	3.51
IP(EA), eV:	-9.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-hydroxy-1-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CC1N2C=CC=C2C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations