Geometry & MOs

Info

ID:	416605
PubChem CID:	135089805
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	2.44
IP(EA), eV:	-8.76(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC=C)C)C(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations