Geometry & MOs

Info

ID:	420935
PubChem CID:	135115061
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	321.18009
ΔH_f, kcal/mol:	34.91
Dipole, Da:	7.34
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1CCO)C2=NN=NN2C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations