Geometry & MOs

Info

ID:	46577
PubChem CID:	10525326
Reduced:	N5O5C19H27 (1)
Stoich.:	A5B5C19D27 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	3.41
IP(EA), eV:	-8.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-[(1S,2S,3S)-2-(morpholine-4-carbonyl)-3-phenylcyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

CCNCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C

DOS

IR

Vibrations