Geometry & MOs

Info

ID:	421038
PubChem CID:	135115267
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	2.97
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,6-dimethyl-4-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations