Geometry & MOs

Info

ID:	336420
PubChem CID:	127255427
Reduced:	N2O5C26H26 (1)
Stoich.:	A2B5C26D26 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	6.88
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-chloro-5-cyanopyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

C[C@H](/C=C/C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)/C=C\C3=CCCC(C3)[N+](=O)[O-]

DOS

IR

Vibrations