Geometry & MOs

Info

ID:	231573
PubChem CID:	87574165
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	4.0
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-5-methyl-1-oxohexan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(OC)OC1=NC(=NC2=C1CNCC2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations