Geometry & MOs

Info

ID:	185041
PubChem CID:	77244984
Reduced:	FON8H21C22 (1)
Stoich.:	ABC8D21E22 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	77.07
Dipole, Da:	4.02
IP(EA), eV:	-9.46(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(3-chlorophenyl)methylamino]pyridin-3-yl]cyclopropyl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CCC1C2=NN=CN2C3=CN=C(N=C3N1C4CCOC4)N5C=CN=C5C6=CC=C(C=C6)F

DOS

IR

Vibrations