Geometry & MOs

Info

ID:	414742
PubChem CID:	135087703
Reduced:	O5N7C38H51 (1)
Stoich.:	A5B7C38D51 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	7.0
IP(EA), eV:	-9.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C

DOS

IR

Vibrations