Geometry & MOs

Info

ID:	252116
PubChem CID:	103109255
Reduced:	ClO3N5C12H16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	5.38
IP(EA), eV:	-10.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NOC(=N2)C(C)C)CCl

DOS

IR

Vibrations