Geometry & MOs

Info

ID:	178854
PubChem CID:	76390637
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	26.58
Dipole, Da:	6.77
IP(EA), eV:	-8.91(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-aminooxan-4-yl)amino]-4-(4-methoxyanilino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC2CC(=C(N=O)N3C=CN=C3)CCN2

DOS

IR

Vibrations