Geometry & MOs

Info

ID:	331295
PubChem CID:	127248702
Reduced:	ON6C23H30 (1)
Stoich.:	AB6C23D30 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	55.08
Dipole, Da:	4.4
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations