Geometry & MOs

Info

ID:	448348
PubChem CID:	135290283
Reduced:	BrN2O5C28H31 (1)
Stoich.:	AB2C5D28E31 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	12.31
IP(EA), eV:	-8.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=CC1=O)N2C(CCC2(C)C)C3=CC(=C(C=C3Br)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations