Geometry & MOs

Info

ID:	75690
PubChem CID:	48423853
Reduced:	ClO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	3.1
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(cyclopropylmethoxy)propanoylamino]methyl]phenyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)C(C)OCC4CC4

DOS

IR

Vibrations