Geometry & MOs

Info

ID:	392211
PubChem CID:	135013689
Reduced:	O2Si3C31H64 (1)
Stoich.:	A2B3C31D64 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-266.74
Dipole, Da:	1.57
IP(EA), eV:	-8.8(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-benzyl-4-(hydroxymethyl)pyrimido[4,5-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](CC#C[Si](C(C)C)(C(C)C)C(C)C)CC(=C)[C@@H](C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations