Geometry & MOs

Info

ID:	357321
PubChem CID:	127293954
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[[1-(dimethylamino)cycloheptyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations