Geometry & MOs

Info

ID:	231535
PubChem CID:	87574063
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	4.46
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-4-methyl-1-(oxiran-2-yl)pentyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC1=CC2=C(C=C1)C=NN2CCCOC)C[C@@H]([C@H]3CO3)NC(=O)O

DOS

IR

Vibrations