Geometry & MOs

Info

ID:	421761
PubChem CID:	135116553
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	5.17
IP(EA), eV:	-9.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations