Geometry & MOs

Info

ID:	149309
PubChem CID:	53788981
Reduced:	O4N7C26H33 (1)
Stoich.:	A4B7C26D33 (1)
Weight, g/mol:	458.12051
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	4.72
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[5-[[2-(bromomethyl)phenyl]methoxy]-1H-indol-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C=O

DOS

IR

Vibrations