Geometry & MOs

Info

ID:	415194
PubChem CID:	135088185
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-182.74
Dipole, Da:	4.09
IP(EA), eV:	-8.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

DOS

IR

Vibrations