Geometry & MOs

Info

ID:	306681
PubChem CID:	125165285
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-173.74
Dipole, Da:	3.04
IP(EA), eV:	-9.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[methyl-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]amino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C[C@]2(CC(=O)N(C2=O)CCCOC3=CN=CC=C3)C4=CC=CC=C4)CO

DOS

IR

Vibrations