Geometry & MOs

Info

ID:	43435
PubChem CID:	10321292
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	12.2
IP(EA), eV:	-7.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazin-2-yl]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(N1NC(=O)COC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations