Geometry & MOs

Info

ID:	187277
PubChem CID:	77553932
Reduced:	FON5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	574.304287
ΔH_f, kcal/mol:	43.01
Dipole, Da:	7.71
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl N-acetyl-N-[2,3-bis(phenylmethoxy)-6-(1-pyrrolidin-2-ylethoxymethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1C2=C(CC3=C1C(CC3)CC(C4=CC=CC=N4)NC(=O)C5=CC=NC=C5)N(N=C2)C6=CC=C(C=C6)F

DOS

IR

Vibrations