Geometry & MOs

Info

ID:	286783
PubChem CID:	104222373
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	63.74
Dipole, Da:	6.63
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=C(C=N2)CNC(C)C

DOS

IR

Vibrations