Geometry & MOs

Info

ID:	135784
PubChem CID:	51934974
Reduced:	OCl2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	407.208316
ΔH_f, kcal/mol:	32.86
Dipole, Da:	5.07
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

DOS

IR

Vibrations