Geometry & MOs

Info

ID:	444501
PubChem CID:	135262655
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	442.05037
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	5.04
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-[5-[[3-bromo-4-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CN=C(C=C1)[C@H]2C[C@@H]2C(=O)OC

DOS

IR

Vibrations