Geometry & MOs

Info

ID:	442823
PubChem CID:	135256440
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[1-[2-amino-4-(methoxycarbonylamino)phenyl]indazol-3-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

C=CC[C@@H](C1=CC2=C(C(=C1)Br)OCCO2)N

DOS

IR

Vibrations