Geometry & MOs

Info

ID:	230833
PubChem CID:	87572102
Reduced:	ClO2N5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	421.132382
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	7.06
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[[[6-chloro-5-(4-chlorophenyl)pyridin-3-yl]amino]methyl]cyclopropyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C2=C(C(=CN=C2NC1=O)Cl)CN(C=O)N(C)C

DOS

IR

Vibrations