Geometry & MOs

Info

ID:	286824
PubChem CID:	104222536
Reduced:	IN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	265.109423
ΔH_f, kcal/mol:	96.94
Dipole, Da:	6.21
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chloro-3-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations