Geometry & MOs

Info

ID:	368090
PubChem CID:	127327460
Reduced:	OSN7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	73.92
Dipole, Da:	8.31
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations