Geometry & MOs

Info

ID:	414853
PubChem CID:	135087825
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	5.88
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-propyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)C2=CN3C=CN=C3C=C2)CC4=CC=CC=C4F

DOS

IR

Vibrations