Geometry & MOs

Info

ID:	422937
PubChem CID:	135118653
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	8.63
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

DOS

IR

Vibrations