Geometry & MOs

Info

ID:	160317
PubChem CID:	57309664
Reduced:	N3O7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-223.55
Dipole, Da:	7.38
IP(EA), eV:	-9.77(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-(4-phenyldiazenylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](O[C@H](C1O)CO)N2C=C(C(=O)NC2=O)CC#CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations