Geometry & MOs

Info

ID:	280101
PubChem CID:	103846877
Reduced:	BrClNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	313.082934
ΔH_f, kcal/mol:	-97.5
Dipole, Da:	3.1
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2,2-dimethyloxan-4-yl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CCO1)NC(=O)C2=C(C=CC(=C2)Cl)Br)C

DOS

IR

Vibrations