Geometry & MOs

Info

ID:	43249
PubChem CID:	10320176
Reduced:	N2C13H28 (2)
Stoich.:	A2B13C28 (2)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	1.64
IP(EA), eV:	-8.31(2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[6-[4-(phenoxymethyl)phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CN1CCCN(CCN(CCCN(CC1)CC(C)C)CC(C)C)CC(C)C

DOS

IR

Vibrations