Geometry & MOs

Info

ID:	421620
PubChem CID:	135116309
Reduced:	N6O7C38H52 (1)
Stoich.:	A6B7C38D52 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	-299.06
Dipole, Da:	4.9
IP(EA), eV:	-9.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C(C)(C)C4=CC=CC=C4)O

DOS

IR

Vibrations