Geometry & MOs

Info

ID:	331212
PubChem CID:	127248619
Reduced:	ClN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	2.55
IP(EA), eV:	-9.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(2-aminopyridin-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)OCC(=O)N1CCOC(C1)C2=NN(C(=C2)CCOC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations