Geometry & MOs

Info

ID:	424472
PubChem CID:	135122812
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-221.29
Dipole, Da:	7.87
IP(EA), eV:	-9.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4CCOC4

DOS

IR

Vibrations