Geometry & MOs

Info

ID:	421912
PubChem CID:	135116826
Reduced:	O6N8C33H48 (1)
Stoich.:	A6B8C33D48 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-243.9
Dipole, Da:	6.6
IP(EA), eV:	-9.12(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N[C@H]2CCCNC(=O)CN(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)C(C)C)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations