Geometry & MOs

Info

ID:	286773
PubChem CID:	104222350
Reduced:	N3C5H7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	232.143645
ΔH_f, kcal/mol:	96.04
Dipole, Da:	6.84
IP(EA), eV:	-9.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(N=C1)N2C=NC=N2

DOS

IR

Vibrations