Geometry & MOs

Info

ID:	305681
PubChem CID:	124965386
Reduced:	O2N5C27H29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	17.24
Dipole, Da:	7.21
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-methoxypropanoyl)-4-propan-2-ylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CN=C(N2C(=N1)[C@@H]3CCCCN3C(=O)C4=CC(=NC=C4)CC5=CC=CC=C5OC)C

DOS

IR

Vibrations