Geometry & MOs

Info

ID:	164324
PubChem CID:	74382894
Reduced:	SN7O8C44H49 (1)
Stoich.:	AB7C8D44E49 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-189.41
Dipole, Da:	7.45
IP(EA), eV:	-8.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aziridin-2-ylmethylamino)-3-methyl-N-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCCCOC(=O)NN=CC1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

DOS

IR

Vibrations