Geometry & MOs

Info

ID:	426795
PubChem CID:	135153897
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	6.45
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1CBr)N(CC2=CC=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations