Geometry & MOs

Info

ID:	331249
PubChem CID:	127248656
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3CCCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations