Geometry & MOs

Info

ID:	290267
PubChem CID:	104425943
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	10.11
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(4-methylpyrimidin-2-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations