Geometry & MOs

Info

ID:	325923
PubChem CID:	126685596
Reduced:	NC21H29 (1)
Stoich.:	AB21C29 (1)
Weight, g/mol:	570.259068
ΔH_f, kcal/mol:	1.58
Dipole, Da:	1.29
IP(EA), eV:	-7.86(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]-1-methyl-6-oxopyridin-3-yl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)C)C(C)C

DOS

IR

Vibrations