Geometry & MOs

Info

ID:	44161
PubChem CID:	10501229
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	401.217538
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	7.63
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2,4-bis(2-methylpropanoylamino)pteridin-6-yl]methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNC(=O)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N

DOS

IR

Vibrations