Geometry & MOs

Info

ID:	282873
PubChem CID:	103943037
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	2.46
IP(EA), eV:	-9.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNC(=O)COC(C)(C)C

DOS

IR

Vibrations