Geometry & MOs

Info

ID:	419581
PubChem CID:	135108476
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	5.84
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1(CCC1)NC(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations