Geometry & MOs

Info

ID:	155149
PubChem CID:	56320843
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	6.65
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations