Geometry & MOs

Info

ID:	146895
PubChem CID:	53767640
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	400.237545
ΔH_f, kcal/mol:	-211.87
Dipole, Da:	3.99
IP(EA), eV:	-9.58(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(3R)-1-[2-[5-(1,2,4-triazol-4-yl)indol-1-yl]ethyl]pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCOC(=O)NC[C@H]1CC=CC2C1CN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations