Geometry & MOs

Info

ID:	221920
PubChem CID:	85292773
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	390.259022
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	4.5
IP(EA), eV:	-8.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhept-6-yn-3-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C)C(=O)O1

DOS

IR

Vibrations