Geometry & MOs

Info

ID:	426883
PubChem CID:	135154333
Reduced:	N2O3C14H17 (2)
Stoich.:	A2B3C14D17 (2)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-171.82
Dipole, Da:	4.31
IP(EA), eV:	-8.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-(2-methoxy-5-nitrophenyl)ethynyl]pyridin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)NCC4=C(C=C(C=C4)OC)OC)C(=O)OC

DOS

IR

Vibrations